votca::xtp::FragmentSaturator::SaturationResult Struct Reference

#include <fragmentsaturator.h>

Collaboration diagram for votca::xtp::FragmentSaturator::SaturationResult:

Public Attributes
QMMolecule	mol
std::vector< Index >	new_atom_parent_ids

Detailed Description

Definition at line 85 of file fragmentsaturator.h.

Member Data Documentation

mol

QMMolecule votca::xtp::FragmentSaturator::SaturationResult::mol

Definition at line 86 of file fragmentsaturator.h.

new_atom_parent_ids

std::vector<Index> votca::xtp::FragmentSaturator::SaturationResult::new_atom_parent_ids

Definition at line 87 of file fragmentsaturator.h.

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The documentation for this struct was generated from the following file:

• xtp/include/votca/xtp/fragmentsaturator.h